(2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide

C16H21N3O3 — CID 154756732

IUPAC(2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESN#Cc1ccc(CN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)o1
InChIInChI=1S/C16H21N3O3/c17-9-12-1-2-13(22-12)10-19-6-3-11(4-7-19)15-14(16(18)20)5-8-21-15/h1-2,11,14-15H,3-8,10H2,(H2,18,20)/t14-,15+/m0/s1
InChIKeyYRKQWBOYIWHIAD-LSDHHAIUSA-N
MW303.36 g/mol
LogP1.25
Rot. Bonds4

About (2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide

(2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 154756732) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
PubChem CID154756732
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESN#Cc1ccc(CN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)o1
InChIInChI=1S/C16H21N3O3/c17-9-12-1-2-13(22-12)10-19-6-3-11(4-7-19)15-14(16(18)20)5-8-21-15/h1-2,11,14-15H,3-8,10H2,(H2,18,20)/t14-,15+/m0/s1
InChIKeyYRKQWBOYIWHIAD-LSDHHAIUSA-N
XLogP1.25
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide (CID 154756732) is (2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide is N#Cc1ccc(CN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)o1.
What is the InChIKey of (2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is YRKQWBOYIWHIAD-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H21N3O3/c17-9-12-1-2-13(22-12)10-19-6-3-11(4-7-19)15-14(16(18)20)5-8-21-15/h1-2,11,14-15H,3-8,10H2,(H2,18,20)/t14-,15+/m0/s1.
What are the key properties of (2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide?
(2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 154756732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).